2-[(2-methoxyphenoxy)methyl]-1,3-benzothiazole

C15H13NO2S — CID 2395456

IUPAC2-[(2-methoxyphenoxy)methyl]-1,3-benzothiazole
SMILESCOc1ccccc1OCc1nc2ccccc2s1
InChIInChI=1S/C15H13NO2S/c1-17-12-7-3-4-8-13(12)18-10-15-16-11-6-2-5-9-14(11)19-15/h2-9H,10H2,1H3
InChIKeyBZADLXPTZDLTQM-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.88
Rot. Bonds4

About 2-[(2-methoxyphenoxy)methyl]-1,3-benzothiazole

2-[(2-methoxyphenoxy)methyl]-1,3-benzothiazole (PubChem CID 2395456) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(2-methoxyphenoxy)methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(2-methoxyphenoxy)methyl]-1,3-benzothiazole
PubChem CID2395456
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name2-[(2-methoxyphenoxy)methyl]-1,3-benzothiazole
SMILESCOc1ccccc1OCc1nc2ccccc2s1
InChIInChI=1S/C15H13NO2S/c1-17-12-7-3-4-8-13(12)18-10-15-16-11-6-2-5-9-14(11)19-15/h2-9H,10H2,1H3
InChIKeyBZADLXPTZDLTQM-UHFFFAOYSA-N
XLogP3.88
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenoxy)methyl]-1,3-benzothiazole?
The IUPAC name of 2-[(2-methoxyphenoxy)methyl]-1,3-benzothiazole (CID 2395456) is 2-[(2-methoxyphenoxy)methyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(2-methoxyphenoxy)methyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(2-methoxyphenoxy)methyl]-1,3-benzothiazole is COc1ccccc1OCc1nc2ccccc2s1.
What is the InChIKey of 2-[(2-methoxyphenoxy)methyl]-1,3-benzothiazole?
The InChIKey is BZADLXPTZDLTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-17-12-7-3-4-8-13(12)18-10-15-16-11-6-2-5-9-14(11)19-15/h2-9H,10H2,1H3.
What are the key properties of 2-[(2-methoxyphenoxy)methyl]-1,3-benzothiazole?
2-[(2-methoxyphenoxy)methyl]-1,3-benzothiazole has a molecular weight of 271.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenoxy)methyl]-1,3-benzothiazole is sourced from PubChem (CID 2395456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).